USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 ASN : amide:sc= -2.69 K(o=-7.3,f=-3.6) USER MOD Set 1.2: A 53 GLN : amide:sc= -4.58 X(o=-7.3,f=-7.5!) USER MOD Set 2.1: A 28 CYS SG : rot 174:sc= 0.27 USER MOD Set 2.2: A 30 TYR OH : rot 180:sc= 0.541 USER MOD Single : A 20 LYS NZ :NH3+ -129:sc= -1.47 (180deg=-1.83!) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 157:sc= 0.136 (180deg=0.0358) USER MOD Single : A 33 THR OG1 : rot -4:sc= 0.168 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -135:sc= -0.8 (180deg=-3.97!) USER MOD Single : A 49 ASN : amide:sc= 0.0811 X(o=0.081,f=-0.062) USER MOD Single : A 59 ASN : amide:sc= -0.742 X(o=-0.74,f=-1.1) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot -32:sc= 0.647 USER MOD Single : A 69 HIS : no HD1:sc= -11! C(o=-11!,f=-11!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N PRO A 16 2.022 -9.452 -3.510 1.00 0.00 N ATOM 177 CA PRO A 16 1.308 -8.263 -3.036 1.00 0.00 C ATOM 178 C PRO A 16 1.274 -7.152 -4.081 1.00 0.00 C ATOM 179 O PRO A 16 2.145 -7.076 -4.948 1.00 0.00 O ATOM 180 CB PRO A 16 2.120 -7.824 -1.815 1.00 0.00 C ATOM 181 CG PRO A 16 3.489 -8.357 -2.060 1.00 0.00 C ATOM 182 CD PRO A 16 3.304 -9.646 -2.812 1.00 0.00 C ATOM 0 HA PRO A 16 0.262 -8.477 -2.815 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.130 -6.739 -1.715 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.698 -8.225 -0.894 1.00 0.00 H new ATOM 0 HG2 PRO A 16 4.085 -7.650 -2.638 1.00 0.00 H new ATOM 0 HG3 PRO A 16 4.016 -8.525 -1.121 1.00 0.00 H new ATOM 0 HD2 PRO A 16 4.120 -9.823 -3.512 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.270 -10.503 -2.139 1.00 0.00 H new ATOM 190 N VAL A 17 0.265 -6.292 -3.992 1.00 0.00 N ATOM 191 CA VAL A 17 0.119 -5.184 -4.928 1.00 0.00 C ATOM 192 C VAL A 17 0.991 -4.002 -4.521 1.00 0.00 C ATOM 193 O VAL A 17 0.980 -3.578 -3.365 1.00 0.00 O ATOM 194 CB VAL A 17 -1.346 -4.719 -5.024 1.00 0.00 C ATOM 195 CG1 VAL A 17 -1.492 -3.624 -6.070 1.00 0.00 C ATOM 196 CG2 VAL A 17 -2.259 -5.894 -5.340 1.00 0.00 C ATOM 0 H VAL A 17 -0.464 -6.341 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 17 0.440 -5.550 -5.903 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.642 -4.308 -4.059 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.534 -3.308 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -0.869 -2.773 -5.795 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.178 -4.005 -7.042 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.290 -5.547 -5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.966 -6.337 -6.292 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.176 -6.641 -4.551 1.00 0.00 H new ATOM 206 N PHE A 18 1.745 -3.472 -5.478 1.00 0.00 N ATOM 207 CA PHE A 18 2.624 -2.338 -5.219 1.00 0.00 C ATOM 208 C PHE A 18 2.059 -1.060 -5.834 1.00 0.00 C ATOM 209 O PHE A 18 1.767 -1.010 -7.028 1.00 0.00 O ATOM 210 CB PHE A 18 4.022 -2.611 -5.778 1.00 0.00 C ATOM 211 CG PHE A 18 4.723 -3.756 -5.106 1.00 0.00 C ATOM 212 CD1 PHE A 18 4.516 -5.058 -5.531 1.00 0.00 C ATOM 213 CD2 PHE A 18 5.590 -3.530 -4.049 1.00 0.00 C ATOM 214 CE1 PHE A 18 5.160 -6.114 -4.913 1.00 0.00 C ATOM 215 CE2 PHE A 18 6.237 -4.582 -3.427 1.00 0.00 C ATOM 216 CZ PHE A 18 6.022 -5.875 -3.861 1.00 0.00 C ATOM 0 H PHE A 18 1.765 -3.810 -6.440 1.00 0.00 H new ATOM 0 HA PHE A 18 2.692 -2.202 -4.140 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.944 -2.819 -6.845 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.629 -1.712 -5.673 1.00 0.00 H new ATOM 0 HD1 PHE A 18 3.844 -5.250 -6.354 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.762 -2.520 -3.707 1.00 0.00 H new ATOM 0 HE1 PHE A 18 4.989 -7.125 -5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 18 6.909 -4.393 -2.603 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.527 -6.698 -3.378 1.00 0.00 H new ATOM 226 N ALA A 19 1.907 -0.031 -5.007 1.00 0.00 N ATOM 227 CA ALA A 19 1.378 1.247 -5.468 1.00 0.00 C ATOM 228 C ALA A 19 2.190 2.411 -4.909 1.00 0.00 C ATOM 229 O ALA A 19 2.334 2.553 -3.694 1.00 0.00 O ATOM 230 CB ALA A 19 -0.085 1.385 -5.077 1.00 0.00 C ATOM 0 H ALA A 19 2.143 -0.057 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 19 1.455 1.273 -6.555 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -0.466 2.344 -5.428 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.660 0.578 -5.530 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.178 1.332 -3.992 1.00 0.00 H new ATOM 236 N LYS A 20 2.718 3.241 -5.802 1.00 0.00 N ATOM 237 CA LYS A 20 3.515 4.394 -5.398 1.00 0.00 C ATOM 238 C LYS A 20 2.619 5.572 -5.028 1.00 0.00 C ATOM 239 O LYS A 20 1.572 5.783 -5.639 1.00 0.00 O ATOM 240 CB LYS A 20 4.470 4.799 -6.523 1.00 0.00 C ATOM 241 CG LYS A 20 5.041 6.197 -6.362 1.00 0.00 C ATOM 242 CD LYS A 20 5.770 6.649 -7.616 1.00 0.00 C ATOM 243 CE LYS A 20 7.160 6.038 -7.703 1.00 0.00 C ATOM 244 NZ LYS A 20 7.128 4.667 -8.282 1.00 0.00 N ATOM 0 H LYS A 20 2.609 3.137 -6.811 1.00 0.00 H new ATOM 0 HA LYS A 20 4.096 4.113 -4.520 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.291 4.083 -6.567 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.943 4.738 -7.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.236 6.896 -6.136 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.726 6.216 -5.515 1.00 0.00 H new ATOM 0 HD2 LYS A 20 5.192 6.367 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.848 7.736 -7.621 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.799 6.675 -8.314 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.604 6.002 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 7.648 4.015 -7.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 6.141 4.349 -8.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 7.572 4.677 -9.222 1.00 0.00 H new ATOM 258 N ALA A 21 3.039 6.337 -4.026 1.00 0.00 N ATOM 259 CA ALA A 21 2.276 7.495 -3.578 1.00 0.00 C ATOM 260 C ALA A 21 2.491 8.686 -4.506 1.00 0.00 C ATOM 261 O ALA A 21 3.619 9.140 -4.698 1.00 0.00 O ATOM 262 CB ALA A 21 2.660 7.860 -2.151 1.00 0.00 C ATOM 0 H ALA A 21 3.903 6.176 -3.509 1.00 0.00 H new ATOM 0 HA ALA A 21 1.218 7.234 -3.603 1.00 0.00 H new ATOM 0 HB1 ALA A 21 2.083 8.727 -1.829 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.450 7.018 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 21 3.723 8.097 -2.110 1.00 0.00 H new ATOM 268 N ILE A 22 1.402 9.187 -5.079 1.00 0.00 N ATOM 269 CA ILE A 22 1.472 10.325 -5.987 1.00 0.00 C ATOM 270 C ILE A 22 1.363 11.642 -5.227 1.00 0.00 C ATOM 271 O ILE A 22 1.901 12.663 -5.654 1.00 0.00 O ATOM 272 CB ILE A 22 0.360 10.266 -7.051 1.00 0.00 C ATOM 273 CG1 ILE A 22 -0.992 9.987 -6.392 1.00 0.00 C ATOM 274 CG2 ILE A 22 0.678 9.202 -8.091 1.00 0.00 C ATOM 275 CD1 ILE A 22 -2.175 10.384 -7.247 1.00 0.00 C ATOM 0 H ILE A 22 0.461 8.823 -4.931 1.00 0.00 H new ATOM 0 HA ILE A 22 2.441 10.273 -6.483 1.00 0.00 H new ATOM 0 HB ILE A 22 0.306 11.232 -7.553 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -1.062 8.924 -6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -1.043 10.523 -5.444 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -0.117 9.172 -8.836 1.00 0.00 H new ATOM 0 HG22 ILE A 22 1.623 9.441 -8.578 1.00 0.00 H new ATOM 0 HG23 ILE A 22 0.756 8.230 -7.605 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.100 10.157 -6.716 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -2.130 11.453 -7.457 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -2.149 9.828 -8.184 1.00 0.00 H new ATOM 287 N GLN A 23 0.664 11.611 -4.096 1.00 0.00 N ATOM 288 CA GLN A 23 0.486 12.803 -3.276 1.00 0.00 C ATOM 289 C GLN A 23 1.264 12.685 -1.969 1.00 0.00 C ATOM 290 O GLN A 23 1.906 11.668 -1.706 1.00 0.00 O ATOM 291 CB GLN A 23 -0.998 13.027 -2.980 1.00 0.00 C ATOM 292 CG GLN A 23 -1.741 13.734 -4.102 1.00 0.00 C ATOM 293 CD GLN A 23 -3.218 13.906 -3.806 1.00 0.00 C ATOM 294 OE1 GLN A 23 -3.647 14.949 -3.311 1.00 0.00 O ATOM 295 NE2 GLN A 23 -4.006 12.881 -4.109 1.00 0.00 N ATOM 0 H GLN A 23 0.212 10.774 -3.728 1.00 0.00 H new ATOM 0 HA GLN A 23 0.872 13.657 -3.832 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.472 12.064 -2.792 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -1.093 13.613 -2.066 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -1.292 14.713 -4.270 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.623 13.166 -5.025 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -3.608 12.035 -4.518 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -5.009 12.939 -3.933 1.00 0.00 H new ATOM 304 N LYS A 24 1.203 13.733 -1.154 1.00 0.00 N ATOM 305 CA LYS A 24 1.901 13.748 0.126 1.00 0.00 C ATOM 306 C LYS A 24 0.912 13.684 1.286 1.00 0.00 C ATOM 307 O LYS A 24 0.031 14.535 1.410 1.00 0.00 O ATOM 308 CB LYS A 24 2.763 15.007 0.245 1.00 0.00 C ATOM 309 CG LYS A 24 3.621 15.040 1.498 1.00 0.00 C ATOM 310 CD LYS A 24 4.416 16.331 1.595 1.00 0.00 C ATOM 311 CE LYS A 24 4.899 16.583 3.015 1.00 0.00 C ATOM 312 NZ LYS A 24 5.934 15.598 3.433 1.00 0.00 N ATOM 0 H LYS A 24 0.677 14.583 -1.357 1.00 0.00 H new ATOM 0 HA LYS A 24 2.544 12.869 0.171 1.00 0.00 H new ATOM 0 HB2 LYS A 24 3.409 15.079 -0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 24 2.115 15.883 0.235 1.00 0.00 H new ATOM 0 HG2 LYS A 24 2.986 14.936 2.378 1.00 0.00 H new ATOM 0 HG3 LYS A 24 4.304 14.190 1.495 1.00 0.00 H new ATOM 0 HD2 LYS A 24 5.272 16.284 0.922 1.00 0.00 H new ATOM 0 HD3 LYS A 24 3.797 17.166 1.266 1.00 0.00 H new ATOM 0 HE2 LYS A 24 5.308 17.591 3.086 1.00 0.00 H new ATOM 0 HE3 LYS A 24 4.053 16.533 3.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 6.237 15.804 4.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 5.537 14.638 3.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 6.753 15.663 2.795 1.00 0.00 H new ATOM 326 N ARG A 25 1.065 12.672 2.133 1.00 0.00 N ATOM 327 CA ARG A 25 0.186 12.498 3.283 1.00 0.00 C ATOM 328 C ARG A 25 0.889 12.909 4.573 1.00 0.00 C ATOM 329 O ARG A 25 2.028 12.514 4.824 1.00 0.00 O ATOM 330 CB ARG A 25 -0.277 11.043 3.382 1.00 0.00 C ATOM 331 CG ARG A 25 -1.557 10.757 2.615 1.00 0.00 C ATOM 332 CD ARG A 25 -2.787 10.975 3.482 1.00 0.00 C ATOM 333 NE ARG A 25 -3.067 12.393 3.688 1.00 0.00 N ATOM 334 CZ ARG A 25 -3.733 13.145 2.818 1.00 0.00 C ATOM 335 NH1 ARG A 25 -4.184 12.617 1.689 1.00 0.00 N ATOM 336 NH2 ARG A 25 -3.948 14.429 3.077 1.00 0.00 N ATOM 0 H ARG A 25 1.790 11.960 2.045 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.684 13.140 3.144 1.00 0.00 H new ATOM 0 HB2 ARG A 25 0.514 10.393 3.008 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -0.428 10.789 4.431 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -1.609 11.403 1.739 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -1.543 9.729 2.253 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.649 10.500 3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -2.641 10.490 4.447 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.733 12.830 4.547 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.020 11.631 1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.695 13.197 1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -3.602 14.839 3.944 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -4.459 15.005 2.409 1.00 0.00 H new ATOM 350 N VAL A 26 0.203 13.704 5.388 1.00 0.00 N ATOM 351 CA VAL A 26 0.762 14.168 6.652 1.00 0.00 C ATOM 352 C VAL A 26 -0.200 13.910 7.806 1.00 0.00 C ATOM 353 O VAL A 26 -1.081 14.716 8.105 1.00 0.00 O ATOM 354 CB VAL A 26 1.093 15.671 6.601 1.00 0.00 C ATOM 355 CG1 VAL A 26 1.728 16.123 7.908 1.00 0.00 C ATOM 356 CG2 VAL A 26 2.006 15.976 5.423 1.00 0.00 C ATOM 0 H VAL A 26 -0.741 14.040 5.195 1.00 0.00 H new ATOM 0 HA VAL A 26 1.681 13.606 6.817 1.00 0.00 H new ATOM 0 HB VAL A 26 0.164 16.225 6.465 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.955 17.188 7.853 1.00 0.00 H new ATOM 0 HG12 VAL A 26 1.036 15.941 8.731 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.648 15.564 8.078 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.229 17.043 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.934 15.413 5.526 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.510 15.691 4.495 1.00 0.00 H new ATOM 366 N PRO A 27 -0.031 12.757 8.471 1.00 0.00 N ATOM 367 CA PRO A 27 -0.875 12.366 9.604 1.00 0.00 C ATOM 368 C PRO A 27 -0.626 13.228 10.837 1.00 0.00 C ATOM 369 O PRO A 27 0.450 13.806 10.996 1.00 0.00 O ATOM 370 CB PRO A 27 -0.459 10.917 9.872 1.00 0.00 C ATOM 371 CG PRO A 27 0.933 10.820 9.350 1.00 0.00 C ATOM 372 CD PRO A 27 0.998 11.748 8.169 1.00 0.00 C ATOM 0 HA PRO A 27 -1.936 12.486 9.383 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -0.500 10.684 10.936 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -1.121 10.215 9.366 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.657 11.108 10.113 1.00 0.00 H new ATOM 0 HG3 PRO A 27 1.169 9.797 9.056 1.00 0.00 H new ATOM 0 HD2 PRO A 27 1.985 12.199 8.066 1.00 0.00 H new ATOM 0 HD3 PRO A 27 0.787 11.226 7.236 1.00 0.00 H new ATOM 380 N CYS A 28 -1.626 13.310 11.707 1.00 0.00 N ATOM 381 CA CYS A 28 -1.516 14.102 12.927 1.00 0.00 C ATOM 382 C CYS A 28 -0.686 13.371 13.977 1.00 0.00 C ATOM 383 O CYS A 28 -0.363 12.194 13.818 1.00 0.00 O ATOM 384 CB CYS A 28 -2.906 14.414 13.484 1.00 0.00 C ATOM 385 SG CYS A 28 -3.667 15.896 12.782 1.00 0.00 S ATOM 0 H CYS A 28 -2.523 12.838 11.590 1.00 0.00 H new ATOM 0 HA CYS A 28 -1.013 15.037 12.680 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -3.559 13.561 13.300 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -2.834 14.533 14.565 1.00 0.00 H new ATOM 0 HG CYS A 28 -4.889 16.002 13.213 1.00 0.00 H new ATOM 391 N ALA A 29 -0.342 14.078 15.048 1.00 0.00 N ATOM 392 CA ALA A 29 0.451 13.496 16.125 1.00 0.00 C ATOM 393 C ALA A 29 -0.334 12.418 16.864 1.00 0.00 C ATOM 394 O ALA A 29 0.164 11.314 17.083 1.00 0.00 O ATOM 395 CB ALA A 29 0.903 14.580 17.092 1.00 0.00 C ATOM 0 H ALA A 29 -0.600 15.054 15.194 1.00 0.00 H new ATOM 0 HA ALA A 29 1.331 13.028 15.684 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.494 14.132 17.891 1.00 0.00 H new ATOM 0 HB2 ALA A 29 1.509 15.313 16.560 1.00 0.00 H new ATOM 0 HB3 ALA A 29 0.030 15.073 17.519 1.00 0.00 H new ATOM 401 N TYR A 30 -1.563 12.746 17.247 1.00 0.00 N ATOM 402 CA TYR A 30 -2.416 11.806 17.965 1.00 0.00 C ATOM 403 C TYR A 30 -2.756 10.602 17.091 1.00 0.00 C ATOM 404 O TYR A 30 -2.787 9.466 17.565 1.00 0.00 O ATOM 405 CB TYR A 30 -3.701 12.498 18.422 1.00 0.00 C ATOM 406 CG TYR A 30 -4.418 13.237 17.314 1.00 0.00 C ATOM 407 CD1 TYR A 30 -4.040 14.525 16.955 1.00 0.00 C ATOM 408 CD2 TYR A 30 -5.471 12.647 16.627 1.00 0.00 C ATOM 409 CE1 TYR A 30 -4.693 15.204 15.944 1.00 0.00 C ATOM 410 CE2 TYR A 30 -6.129 13.318 15.614 1.00 0.00 C ATOM 411 CZ TYR A 30 -5.736 14.596 15.277 1.00 0.00 C ATOM 412 OH TYR A 30 -6.387 15.269 14.269 1.00 0.00 O ATOM 0 H TYR A 30 -1.991 13.655 17.072 1.00 0.00 H new ATOM 0 HA TYR A 30 -1.870 11.454 18.840 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.374 11.753 18.845 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -3.461 13.201 19.220 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.223 15.003 17.474 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -5.781 11.646 16.889 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -4.388 16.205 15.678 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.946 12.845 15.090 1.00 0.00 H new ATOM 0 HH TYR A 30 -7.096 14.701 13.901 1.00 0.00 H new ATOM 422 N ASP A 31 -3.009 10.860 15.813 1.00 0.00 N ATOM 423 CA ASP A 31 -3.345 9.798 14.871 1.00 0.00 C ATOM 424 C ASP A 31 -2.163 8.855 14.672 1.00 0.00 C ATOM 425 O ASP A 31 -1.086 9.272 14.247 1.00 0.00 O ATOM 426 CB ASP A 31 -3.769 10.395 13.528 1.00 0.00 C ATOM 427 CG ASP A 31 -4.548 9.410 12.677 1.00 0.00 C ATOM 428 OD1 ASP A 31 -4.297 8.193 12.800 1.00 0.00 O ATOM 429 OD2 ASP A 31 -5.406 9.857 11.888 1.00 0.00 O ATOM 0 H ASP A 31 -2.988 11.795 15.405 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.176 9.227 15.285 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.379 11.281 13.704 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.883 10.721 12.983 1.00 0.00 H new ATOM 434 N LYS A 32 -2.372 7.580 14.982 1.00 0.00 N ATOM 435 CA LYS A 32 -1.325 6.575 14.837 1.00 0.00 C ATOM 436 C LYS A 32 -1.673 5.582 13.733 1.00 0.00 C ATOM 437 O LYS A 32 -0.794 4.927 13.172 1.00 0.00 O ATOM 438 CB LYS A 32 -1.117 5.832 16.159 1.00 0.00 C ATOM 439 CG LYS A 32 -0.095 6.489 17.071 1.00 0.00 C ATOM 440 CD LYS A 32 -0.731 7.562 17.939 1.00 0.00 C ATOM 441 CE LYS A 32 0.086 7.819 19.196 1.00 0.00 C ATOM 442 NZ LYS A 32 1.114 8.875 18.982 1.00 0.00 N ATOM 0 H LYS A 32 -3.258 7.218 15.336 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.401 7.085 14.564 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.070 5.766 16.683 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.799 4.811 15.946 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.367 5.733 17.706 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.700 6.930 16.470 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -0.823 8.486 17.368 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -1.740 7.257 18.216 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.579 8.118 20.007 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.573 6.895 19.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.374 9.296 19.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 1.957 8.454 18.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.729 9.613 18.358 1.00 0.00 H new ATOM 456 N THR A 33 -2.962 5.475 13.424 1.00 0.00 N ATOM 457 CA THR A 33 -3.426 4.562 12.387 1.00 0.00 C ATOM 458 C THR A 33 -3.182 5.139 10.997 1.00 0.00 C ATOM 459 O THR A 33 -3.060 4.401 10.020 1.00 0.00 O ATOM 460 CB THR A 33 -4.926 4.248 12.544 1.00 0.00 C ATOM 461 OG1 THR A 33 -5.683 5.464 12.544 1.00 0.00 O ATOM 462 CG2 THR A 33 -5.186 3.482 13.832 1.00 0.00 C ATOM 0 H THR A 33 -3.703 6.010 13.877 1.00 0.00 H new ATOM 0 HA THR A 33 -2.856 3.640 12.500 1.00 0.00 H new ATOM 0 HB THR A 33 -5.236 3.628 11.703 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.072 6.230 12.507 1.00 0.00 H new ATOM 0 HG21 THR A 33 -6.252 3.271 13.921 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.631 2.544 13.816 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.862 4.081 14.683 1.00 0.00 H new ATOM 470 N ALA A 34 -3.112 6.464 10.916 1.00 0.00 N ATOM 471 CA ALA A 34 -2.879 7.140 9.646 1.00 0.00 C ATOM 472 C ALA A 34 -1.434 6.973 9.191 1.00 0.00 C ATOM 473 O ALA A 34 -0.514 7.525 9.796 1.00 0.00 O ATOM 474 CB ALA A 34 -3.231 8.616 9.761 1.00 0.00 C ATOM 0 H ALA A 34 -3.213 7.090 11.715 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.523 6.681 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -3.052 9.108 8.805 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.282 8.719 10.031 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.612 9.079 10.529 1.00 0.00 H new ATOM 480 N LEU A 35 -1.239 6.208 8.122 1.00 0.00 N ATOM 481 CA LEU A 35 0.096 5.967 7.586 1.00 0.00 C ATOM 482 C LEU A 35 0.624 7.203 6.865 1.00 0.00 C ATOM 483 O LEU A 35 -0.116 7.884 6.156 1.00 0.00 O ATOM 484 CB LEU A 35 0.076 4.774 6.629 1.00 0.00 C ATOM 485 CG LEU A 35 1.367 3.959 6.545 1.00 0.00 C ATOM 486 CD1 LEU A 35 1.208 2.808 5.563 1.00 0.00 C ATOM 487 CD2 LEU A 35 2.534 4.849 6.142 1.00 0.00 C ATOM 0 H LEU A 35 -1.989 5.744 7.609 1.00 0.00 H new ATOM 0 HA LEU A 35 0.761 5.744 8.421 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.732 4.107 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.165 5.139 5.631 1.00 0.00 H new ATOM 0 HG LEU A 35 1.577 3.543 7.530 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.136 2.239 5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.399 2.156 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.974 3.203 4.574 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.445 4.252 6.087 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.333 5.294 5.168 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.662 5.639 6.882 1.00 0.00 H new ATOM 499 N ALA A 36 1.910 7.486 7.051 1.00 0.00 N ATOM 500 CA ALA A 36 2.538 8.637 6.415 1.00 0.00 C ATOM 501 C ALA A 36 3.255 8.232 5.131 1.00 0.00 C ATOM 502 O ALA A 36 3.931 7.203 5.084 1.00 0.00 O ATOM 503 CB ALA A 36 3.510 9.306 7.376 1.00 0.00 C ATOM 0 H ALA A 36 2.536 6.934 7.637 1.00 0.00 H new ATOM 0 HA ALA A 36 1.755 9.349 6.154 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.972 10.164 6.888 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.972 9.639 8.264 1.00 0.00 H new ATOM 0 HB3 ALA A 36 4.283 8.594 7.666 1.00 0.00 H new ATOM 509 N LEU A 37 3.103 9.045 4.092 1.00 0.00 N ATOM 510 CA LEU A 37 3.735 8.771 2.807 1.00 0.00 C ATOM 511 C LEU A 37 4.213 10.062 2.149 1.00 0.00 C ATOM 512 O LEU A 37 3.741 11.149 2.478 1.00 0.00 O ATOM 513 CB LEU A 37 2.759 8.044 1.880 1.00 0.00 C ATOM 514 CG LEU A 37 2.143 6.757 2.431 1.00 0.00 C ATOM 515 CD1 LEU A 37 1.081 6.225 1.482 1.00 0.00 C ATOM 516 CD2 LEU A 37 3.221 5.710 2.670 1.00 0.00 C ATOM 0 H LEU A 37 2.547 9.900 4.114 1.00 0.00 H new ATOM 0 HA LEU A 37 4.601 8.133 2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.951 8.730 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 37 3.279 7.806 0.952 1.00 0.00 H new ATOM 0 HG LEU A 37 1.667 6.984 3.385 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.654 5.309 1.890 1.00 0.00 H new ATOM 0 HD12 LEU A 37 0.294 6.970 1.362 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.532 6.014 0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.765 4.801 3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.726 5.486 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 37 3.946 6.092 3.389 1.00 0.00 H new ATOM 528 N GLU A 38 5.151 9.932 1.215 1.00 0.00 N ATOM 529 CA GLU A 38 5.691 11.088 0.510 1.00 0.00 C ATOM 530 C GLU A 38 5.787 10.816 -0.988 1.00 0.00 C ATOM 531 O GLU A 38 6.044 9.688 -1.410 1.00 0.00 O ATOM 532 CB GLU A 38 7.070 11.453 1.063 1.00 0.00 C ATOM 533 CG GLU A 38 8.159 10.462 0.684 1.00 0.00 C ATOM 534 CD GLU A 38 9.317 10.466 1.663 1.00 0.00 C ATOM 535 OE1 GLU A 38 9.067 10.613 2.877 1.00 0.00 O ATOM 536 OE2 GLU A 38 10.474 10.323 1.214 1.00 0.00 O ATOM 0 H GLU A 38 5.552 9.038 0.930 1.00 0.00 H new ATOM 0 HA GLU A 38 5.012 11.926 0.667 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.348 12.442 0.699 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.011 11.518 2.149 1.00 0.00 H new ATOM 0 HG2 GLU A 38 7.733 9.460 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.530 10.699 -0.313 1.00 0.00 H new ATOM 543 N VAL A 39 5.579 11.857 -1.788 1.00 0.00 N ATOM 544 CA VAL A 39 5.643 11.731 -3.239 1.00 0.00 C ATOM 545 C VAL A 39 6.800 10.834 -3.663 1.00 0.00 C ATOM 546 O VAL A 39 7.965 11.214 -3.556 1.00 0.00 O ATOM 547 CB VAL A 39 5.799 13.106 -3.915 1.00 0.00 C ATOM 548 CG1 VAL A 39 5.923 12.949 -5.423 1.00 0.00 C ATOM 549 CG2 VAL A 39 4.629 14.011 -3.560 1.00 0.00 C ATOM 0 H VAL A 39 5.365 12.797 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 39 4.703 11.281 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 39 6.713 13.571 -3.545 1.00 0.00 H new ATOM 0 HG11 VAL A 39 6.032 13.931 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.797 12.340 -5.655 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.029 12.463 -5.813 1.00 0.00 H new ATOM 0 HG21 VAL A 39 4.756 14.978 -4.046 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.699 13.554 -3.899 1.00 0.00 H new ATOM 0 HG23 VAL A 39 4.592 14.151 -2.480 1.00 0.00 H new ATOM 559 N GLY A 40 6.470 9.640 -4.145 1.00 0.00 N ATOM 560 CA GLY A 40 7.493 8.706 -4.579 1.00 0.00 C ATOM 561 C GLY A 40 7.794 7.650 -3.534 1.00 0.00 C ATOM 562 O GLY A 40 8.956 7.398 -3.212 1.00 0.00 O ATOM 0 H GLY A 40 5.512 9.302 -4.243 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.170 8.220 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 40 8.406 9.254 -4.811 1.00 0.00 H new ATOM 566 N ASP A 41 6.746 7.031 -3.001 1.00 0.00 N ATOM 567 CA ASP A 41 6.904 5.997 -1.986 1.00 0.00 C ATOM 568 C ASP A 41 6.106 4.749 -2.353 1.00 0.00 C ATOM 569 O ASP A 41 4.900 4.819 -2.588 1.00 0.00 O ATOM 570 CB ASP A 41 6.456 6.520 -0.620 1.00 0.00 C ATOM 571 CG ASP A 41 7.586 7.178 0.147 1.00 0.00 C ATOM 572 OD1 ASP A 41 8.570 7.602 -0.495 1.00 0.00 O ATOM 573 OD2 ASP A 41 7.487 7.269 1.388 1.00 0.00 O ATOM 0 H ASP A 41 5.778 7.228 -3.255 1.00 0.00 H new ATOM 0 HA ASP A 41 7.960 5.730 -1.936 1.00 0.00 H new ATOM 0 HB2 ASP A 41 5.647 7.238 -0.756 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.054 5.695 -0.032 1.00 0.00 H new ATOM 578 N ILE A 42 6.789 3.610 -2.401 1.00 0.00 N ATOM 579 CA ILE A 42 6.143 2.347 -2.739 1.00 0.00 C ATOM 580 C ILE A 42 5.396 1.773 -1.541 1.00 0.00 C ATOM 581 O ILE A 42 6.002 1.424 -0.527 1.00 0.00 O ATOM 582 CB ILE A 42 7.165 1.309 -3.239 1.00 0.00 C ATOM 583 CG1 ILE A 42 7.904 1.839 -4.469 1.00 0.00 C ATOM 584 CG2 ILE A 42 6.471 -0.007 -3.556 1.00 0.00 C ATOM 585 CD1 ILE A 42 6.982 2.370 -5.545 1.00 0.00 C ATOM 0 H ILE A 42 7.788 3.536 -2.210 1.00 0.00 H new ATOM 0 HA ILE A 42 5.433 2.560 -3.538 1.00 0.00 H new ATOM 0 HB ILE A 42 7.895 1.131 -2.450 1.00 0.00 H new ATOM 0 HG12 ILE A 42 8.584 2.633 -4.160 1.00 0.00 H new ATOM 0 HG13 ILE A 42 8.516 1.040 -4.888 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.206 -0.730 -3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.988 -0.389 -2.657 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.721 0.154 -4.330 1.00 0.00 H new ATOM 0 HD11 ILE A 42 7.574 2.729 -6.387 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.319 1.573 -5.882 1.00 0.00 H new ATOM 0 HD13 ILE A 42 6.388 3.191 -5.143 1.00 0.00 H new ATOM 597 N VAL A 43 4.076 1.676 -1.664 1.00 0.00 N ATOM 598 CA VAL A 43 3.245 1.141 -0.592 1.00 0.00 C ATOM 599 C VAL A 43 2.934 -0.333 -0.822 1.00 0.00 C ATOM 600 O VAL A 43 2.172 -0.686 -1.722 1.00 0.00 O ATOM 601 CB VAL A 43 1.923 1.920 -0.465 1.00 0.00 C ATOM 602 CG1 VAL A 43 1.084 1.367 0.677 1.00 0.00 C ATOM 603 CG2 VAL A 43 2.195 3.404 -0.266 1.00 0.00 C ATOM 0 H VAL A 43 3.559 1.961 -2.496 1.00 0.00 H new ATOM 0 HA VAL A 43 3.812 1.250 0.333 1.00 0.00 H new ATOM 0 HB VAL A 43 1.360 1.798 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 43 0.154 1.930 0.751 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.859 0.317 0.488 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.638 1.456 1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.249 3.939 -0.178 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.779 3.548 0.643 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.752 3.790 -1.120 1.00 0.00 H new ATOM 613 N LYS A 44 3.528 -1.192 -0.001 1.00 0.00 N ATOM 614 CA LYS A 44 3.314 -2.630 -0.112 1.00 0.00 C ATOM 615 C LYS A 44 2.149 -3.076 0.766 1.00 0.00 C ATOM 616 O LYS A 44 2.259 -3.106 1.992 1.00 0.00 O ATOM 617 CB LYS A 44 4.584 -3.388 0.284 1.00 0.00 C ATOM 618 CG LYS A 44 4.444 -4.898 0.192 1.00 0.00 C ATOM 619 CD LYS A 44 5.377 -5.603 1.162 1.00 0.00 C ATOM 620 CE LYS A 44 5.650 -7.036 0.731 1.00 0.00 C ATOM 621 NZ LYS A 44 6.230 -7.848 1.837 1.00 0.00 N ATOM 0 H LYS A 44 4.162 -0.917 0.749 1.00 0.00 H new ATOM 0 HA LYS A 44 3.072 -2.857 -1.150 1.00 0.00 H new ATOM 0 HB2 LYS A 44 5.404 -3.068 -0.359 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.855 -3.118 1.305 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.414 -5.183 0.405 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.661 -5.223 -0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 44 6.318 -5.056 1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.937 -5.599 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.722 -7.496 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.335 -7.036 -0.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.401 -8.818 1.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.128 -7.424 2.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.566 -7.870 2.637 1.00 0.00 H new ATOM 635 N VAL A 45 1.034 -3.424 0.131 1.00 0.00 N ATOM 636 CA VAL A 45 -0.150 -3.871 0.854 1.00 0.00 C ATOM 637 C VAL A 45 -0.361 -5.372 0.689 1.00 0.00 C ATOM 638 O VAL A 45 -0.253 -5.908 -0.414 1.00 0.00 O ATOM 639 CB VAL A 45 -1.413 -3.130 0.376 1.00 0.00 C ATOM 640 CG1 VAL A 45 -1.387 -2.952 -1.135 1.00 0.00 C ATOM 641 CG2 VAL A 45 -2.665 -3.876 0.811 1.00 0.00 C ATOM 0 H VAL A 45 0.926 -3.405 -0.883 1.00 0.00 H new ATOM 0 HA VAL A 45 0.018 -3.645 1.907 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.429 -2.141 0.835 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.287 -2.427 -1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -0.508 -2.372 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -1.347 -3.929 -1.616 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.548 -3.338 0.465 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.659 -4.878 0.382 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -2.687 -3.947 1.898 1.00 0.00 H new ATOM 651 N THR A 46 -0.664 -6.046 1.794 1.00 0.00 N ATOM 652 CA THR A 46 -0.890 -7.486 1.772 1.00 0.00 C ATOM 653 C THR A 46 -2.374 -7.812 1.891 1.00 0.00 C ATOM 654 O THR A 46 -2.842 -8.820 1.363 1.00 0.00 O ATOM 655 CB THR A 46 -0.128 -8.191 2.911 1.00 0.00 C ATOM 656 OG1 THR A 46 -0.606 -7.729 4.179 1.00 0.00 O ATOM 657 CG2 THR A 46 1.367 -7.935 2.801 1.00 0.00 C ATOM 0 H THR A 46 -0.759 -5.618 2.715 1.00 0.00 H new ATOM 0 HA THR A 46 -0.517 -7.850 0.815 1.00 0.00 H new ATOM 0 HB THR A 46 -0.303 -9.264 2.827 1.00 0.00 H new ATOM 0 HG1 THR A 46 -0.118 -8.183 4.898 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.884 -8.442 3.615 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.732 -8.315 1.847 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.558 -6.864 2.862 1.00 0.00 H new ATOM 665 N ARG A 47 -3.110 -6.951 2.587 1.00 0.00 N ATOM 666 CA ARG A 47 -4.542 -7.148 2.775 1.00 0.00 C ATOM 667 C ARG A 47 -5.318 -5.887 2.404 1.00 0.00 C ATOM 668 O ARG A 47 -4.954 -4.782 2.805 1.00 0.00 O ATOM 669 CB ARG A 47 -4.839 -7.534 4.225 1.00 0.00 C ATOM 670 CG ARG A 47 -4.264 -8.882 4.626 1.00 0.00 C ATOM 671 CD ARG A 47 -4.286 -9.071 6.135 1.00 0.00 C ATOM 672 NE ARG A 47 -4.039 -10.458 6.517 1.00 0.00 N ATOM 673 CZ ARG A 47 -4.934 -11.430 6.376 1.00 0.00 C ATOM 674 NH1 ARG A 47 -6.128 -11.167 5.863 1.00 0.00 N ATOM 675 NH2 ARG A 47 -4.635 -12.668 6.747 1.00 0.00 N ATOM 0 H ARG A 47 -2.738 -6.111 3.030 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.861 -7.957 2.118 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.437 -6.766 4.886 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.919 -7.550 4.374 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.836 -9.679 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.240 -8.964 4.263 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.532 -8.430 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.253 -8.754 6.526 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.130 -10.694 6.914 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.361 -10.217 5.575 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -6.813 -11.915 5.756 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.717 -12.875 7.141 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -5.323 -13.413 6.638 1.00 0.00 H new ATOM 689 N MET A 48 -6.388 -6.062 1.636 1.00 0.00 N ATOM 690 CA MET A 48 -7.215 -4.938 1.211 1.00 0.00 C ATOM 691 C MET A 48 -8.621 -5.048 1.792 1.00 0.00 C ATOM 692 O MET A 48 -9.425 -5.867 1.347 1.00 0.00 O ATOM 693 CB MET A 48 -7.285 -4.877 -0.316 1.00 0.00 C ATOM 694 CG MET A 48 -5.971 -4.481 -0.969 1.00 0.00 C ATOM 695 SD MET A 48 -6.151 -4.112 -2.724 1.00 0.00 S ATOM 696 CE MET A 48 -4.631 -3.219 -3.040 1.00 0.00 C ATOM 0 H MET A 48 -6.703 -6.970 1.295 1.00 0.00 H new ATOM 0 HA MET A 48 -6.758 -4.021 1.583 1.00 0.00 H new ATOM 0 HB2 MET A 48 -7.591 -5.851 -0.697 1.00 0.00 H new ATOM 0 HB3 MET A 48 -8.056 -4.164 -0.608 1.00 0.00 H new ATOM 0 HG2 MET A 48 -5.564 -3.608 -0.458 1.00 0.00 H new ATOM 0 HG3 MET A 48 -5.250 -5.288 -0.844 1.00 0.00 H new ATOM 0 HE1 MET A 48 -4.847 -2.331 -3.634 1.00 0.00 H new ATOM 0 HE2 MET A 48 -4.181 -2.921 -2.093 1.00 0.00 H new ATOM 0 HE3 MET A 48 -3.939 -3.861 -3.585 1.00 0.00 H new ATOM 706 N ASN A 49 -8.912 -4.218 2.789 1.00 0.00 N ATOM 707 CA ASN A 49 -10.221 -4.224 3.431 1.00 0.00 C ATOM 708 C ASN A 49 -11.306 -3.769 2.459 1.00 0.00 C ATOM 709 O ASN A 49 -11.068 -2.916 1.603 1.00 0.00 O ATOM 710 CB ASN A 49 -10.212 -3.317 4.663 1.00 0.00 C ATOM 711 CG ASN A 49 -9.029 -3.588 5.572 1.00 0.00 C ATOM 712 OD1 ASN A 49 -8.751 -4.736 5.922 1.00 0.00 O ATOM 713 ND2 ASN A 49 -8.325 -2.531 5.960 1.00 0.00 N ATOM 0 H ASN A 49 -8.259 -3.533 3.169 1.00 0.00 H new ATOM 0 HA ASN A 49 -10.441 -5.245 3.741 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -10.190 -2.275 4.344 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -11.137 -3.459 5.222 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -7.518 -2.652 6.572 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -8.591 -1.598 5.646 1.00 0.00 H new ATOM 720 N ILE A 50 -12.496 -4.343 2.599 1.00 0.00 N ATOM 721 CA ILE A 50 -13.617 -3.996 1.734 1.00 0.00 C ATOM 722 C ILE A 50 -13.988 -2.524 1.880 1.00 0.00 C ATOM 723 O ILE A 50 -14.193 -1.824 0.890 1.00 0.00 O ATOM 724 CB ILE A 50 -14.855 -4.858 2.043 1.00 0.00 C ATOM 725 CG1 ILE A 50 -14.517 -6.344 1.900 1.00 0.00 C ATOM 726 CG2 ILE A 50 -16.006 -4.481 1.124 1.00 0.00 C ATOM 727 CD1 ILE A 50 -13.978 -6.966 3.170 1.00 0.00 C ATOM 0 H ILE A 50 -12.709 -5.050 3.303 1.00 0.00 H new ATOM 0 HA ILE A 50 -13.297 -4.189 0.710 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.162 -4.671 3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -15.412 -6.884 1.592 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -13.782 -6.466 1.105 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.874 -5.099 1.355 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -16.259 -3.431 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.711 -4.642 0.087 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -13.760 -8.020 2.995 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -13.065 -6.451 3.468 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -14.720 -6.876 3.963 1.00 0.00 H new ATOM 739 N ASN A 51 -14.070 -2.060 3.123 1.00 0.00 N ATOM 740 CA ASN A 51 -14.415 -0.670 3.399 1.00 0.00 C ATOM 741 C ASN A 51 -13.817 0.258 2.347 1.00 0.00 C ATOM 742 O ASN A 51 -14.529 1.036 1.714 1.00 0.00 O ATOM 743 CB ASN A 51 -13.922 -0.268 4.790 1.00 0.00 C ATOM 744 CG ASN A 51 -13.976 1.232 5.011 1.00 0.00 C ATOM 745 OD1 ASN A 51 -14.976 1.764 5.494 1.00 0.00 O ATOM 746 ND2 ASN A 51 -12.897 1.921 4.657 1.00 0.00 N ATOM 0 H ASN A 51 -13.902 -2.626 3.955 1.00 0.00 H new ATOM 0 HA ASN A 51 -15.500 -0.577 3.364 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -14.529 -0.766 5.546 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -12.898 -0.616 4.924 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.875 2.933 4.782 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -12.091 1.438 4.260 1.00 0.00 H new ATOM 753 N GLY A 52 -12.503 0.169 2.165 1.00 0.00 N ATOM 754 CA GLY A 52 -11.831 1.006 1.188 1.00 0.00 C ATOM 755 C GLY A 52 -10.336 1.084 1.423 1.00 0.00 C ATOM 756 O GLY A 52 -9.545 0.760 0.537 1.00 0.00 O ATOM 0 H GLY A 52 -11.892 -0.468 2.677 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -12.019 0.615 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -12.254 2.010 1.222 1.00 0.00 H new ATOM 760 N GLN A 53 -9.948 1.518 2.618 1.00 0.00 N ATOM 761 CA GLN A 53 -8.537 1.640 2.964 1.00 0.00 C ATOM 762 C GLN A 53 -7.899 0.266 3.144 1.00 0.00 C ATOM 763 O GLN A 53 -8.526 -0.656 3.666 1.00 0.00 O ATOM 764 CB GLN A 53 -8.374 2.462 4.244 1.00 0.00 C ATOM 765 CG GLN A 53 -8.671 1.679 5.512 1.00 0.00 C ATOM 766 CD GLN A 53 -10.111 1.210 5.584 1.00 0.00 C ATOM 767 OE1 GLN A 53 -10.528 0.333 4.827 1.00 0.00 O ATOM 768 NE2 GLN A 53 -10.880 1.792 6.497 1.00 0.00 N ATOM 0 H GLN A 53 -10.590 1.791 3.362 1.00 0.00 H new ATOM 0 HA GLN A 53 -8.031 2.151 2.145 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.354 2.844 4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -9.036 3.327 4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -8.008 0.815 5.565 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.452 2.302 6.379 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -10.493 2.515 7.104 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.857 1.516 6.591 1.00 0.00 H new ATOM 777 N TRP A 54 -6.651 0.137 2.708 1.00 0.00 N ATOM 778 CA TRP A 54 -5.929 -1.125 2.820 1.00 0.00 C ATOM 779 C TRP A 54 -4.870 -1.050 3.915 1.00 0.00 C ATOM 780 O TRP A 54 -4.620 0.016 4.476 1.00 0.00 O ATOM 781 CB TRP A 54 -5.276 -1.483 1.485 1.00 0.00 C ATOM 782 CG TRP A 54 -6.125 -1.142 0.298 1.00 0.00 C ATOM 783 CD1 TRP A 54 -7.476 -1.306 0.182 1.00 0.00 C ATOM 784 CD2 TRP A 54 -5.679 -0.580 -0.942 1.00 0.00 C ATOM 785 NE1 TRP A 54 -7.897 -0.880 -1.055 1.00 0.00 N ATOM 786 CE2 TRP A 54 -6.814 -0.430 -1.763 1.00 0.00 C ATOM 787 CE3 TRP A 54 -4.433 -0.188 -1.437 1.00 0.00 C ATOM 788 CZ2 TRP A 54 -6.737 0.095 -3.050 1.00 0.00 C ATOM 789 CZ3 TRP A 54 -4.358 0.332 -2.715 1.00 0.00 C ATOM 790 CH2 TRP A 54 -5.504 0.470 -3.510 1.00 0.00 C ATOM 0 H TRP A 54 -6.118 0.891 2.274 1.00 0.00 H new ATOM 0 HA TRP A 54 -6.645 -1.903 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.323 -0.960 1.403 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.056 -2.551 1.471 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -8.119 -1.711 0.950 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -8.860 -0.896 -1.391 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -3.544 -0.290 -0.832 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -7.619 0.203 -3.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -3.400 0.637 -3.108 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -5.412 0.880 -4.505 1.00 0.00 H new ATOM 801 N GLU A 55 -4.251 -2.189 4.212 1.00 0.00 N ATOM 802 CA GLU A 55 -3.219 -2.250 5.240 1.00 0.00 C ATOM 803 C GLU A 55 -1.848 -2.508 4.621 1.00 0.00 C ATOM 804 O GLU A 55 -1.560 -3.613 4.164 1.00 0.00 O ATOM 805 CB GLU A 55 -3.546 -3.346 6.257 1.00 0.00 C ATOM 806 CG GLU A 55 -2.868 -3.149 7.603 1.00 0.00 C ATOM 807 CD GLU A 55 -3.383 -4.105 8.661 1.00 0.00 C ATOM 808 OE1 GLU A 55 -4.616 -4.280 8.753 1.00 0.00 O ATOM 809 OE2 GLU A 55 -2.553 -4.678 9.397 1.00 0.00 O ATOM 0 H GLU A 55 -4.446 -3.080 3.756 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.192 -1.287 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.625 -3.382 6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -3.248 -4.311 5.847 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.793 -3.286 7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -3.025 -2.124 7.938 1.00 0.00 H new ATOM 816 N GLY A 56 -1.007 -1.478 4.609 1.00 0.00 N ATOM 817 CA GLY A 56 0.322 -1.612 4.043 1.00 0.00 C ATOM 818 C GLY A 56 1.406 -1.135 4.989 1.00 0.00 C ATOM 819 O GLY A 56 1.139 -0.361 5.909 1.00 0.00 O ATOM 0 H GLY A 56 -1.223 -0.553 4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.501 -2.656 3.787 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.377 -1.043 3.115 1.00 0.00 H new ATOM 823 N GLU A 57 2.632 -1.597 4.765 1.00 0.00 N ATOM 824 CA GLU A 57 3.759 -1.214 5.607 1.00 0.00 C ATOM 825 C GLU A 57 4.832 -0.503 4.788 1.00 0.00 C ATOM 826 O GLU A 57 5.325 -1.035 3.793 1.00 0.00 O ATOM 827 CB GLU A 57 4.355 -2.446 6.291 1.00 0.00 C ATOM 828 CG GLU A 57 5.168 -2.119 7.532 1.00 0.00 C ATOM 829 CD GLU A 57 6.618 -1.810 7.216 1.00 0.00 C ATOM 830 OE1 GLU A 57 6.868 -1.063 6.247 1.00 0.00 O ATOM 831 OE2 GLU A 57 7.504 -2.316 7.937 1.00 0.00 O ATOM 0 H GLU A 57 2.870 -2.237 4.007 1.00 0.00 H new ATOM 0 HA GLU A 57 3.393 -0.526 6.370 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.548 -3.126 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.990 -2.975 5.580 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.721 -1.264 8.040 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.122 -2.960 8.224 1.00 0.00 H new ATOM 838 N VAL A 58 5.190 0.705 5.214 1.00 0.00 N ATOM 839 CA VAL A 58 6.205 1.490 4.522 1.00 0.00 C ATOM 840 C VAL A 58 7.061 2.274 5.510 1.00 0.00 C ATOM 841 O VAL A 58 6.542 2.969 6.382 1.00 0.00 O ATOM 842 CB VAL A 58 5.569 2.471 3.519 1.00 0.00 C ATOM 843 CG1 VAL A 58 6.641 3.307 2.837 1.00 0.00 C ATOM 844 CG2 VAL A 58 4.735 1.717 2.494 1.00 0.00 C ATOM 0 H VAL A 58 4.792 1.161 6.035 1.00 0.00 H new ATOM 0 HA VAL A 58 6.835 0.785 3.979 1.00 0.00 H new ATOM 0 HB VAL A 58 4.909 3.146 4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.173 3.994 2.132 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.191 3.875 3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 58 7.328 2.651 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 58 4.293 2.425 1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 58 5.371 1.018 1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 58 3.943 1.167 3.003 1.00 0.00 H new ATOM 854 N ASN A 59 8.378 2.158 5.366 1.00 0.00 N ATOM 855 CA ASN A 59 9.307 2.856 6.246 1.00 0.00 C ATOM 856 C ASN A 59 9.162 2.372 7.685 1.00 0.00 C ATOM 857 O ASN A 59 9.121 3.171 8.620 1.00 0.00 O ATOM 858 CB ASN A 59 9.069 4.366 6.179 1.00 0.00 C ATOM 859 CG ASN A 59 9.281 4.923 4.784 1.00 0.00 C ATOM 860 OD1 ASN A 59 10.151 4.462 4.045 1.00 0.00 O ATOM 861 ND2 ASN A 59 8.485 5.921 4.418 1.00 0.00 N ATOM 0 H ASN A 59 8.825 1.587 4.648 1.00 0.00 H new ATOM 0 HA ASN A 59 10.320 2.638 5.908 1.00 0.00 H new ATOM 0 HB2 ASN A 59 8.052 4.586 6.504 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.742 4.868 6.874 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.581 6.337 3.492 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.777 6.272 5.063 1.00 0.00 H new ATOM 868 N GLY A 60 9.086 1.055 7.856 1.00 0.00 N ATOM 869 CA GLY A 60 8.947 0.486 9.184 1.00 0.00 C ATOM 870 C GLY A 60 7.711 0.988 9.903 1.00 0.00 C ATOM 871 O GLY A 60 7.734 1.200 11.116 1.00 0.00 O ATOM 0 H GLY A 60 9.118 0.373 7.099 1.00 0.00 H new ATOM 0 HA2 GLY A 60 8.903 -0.600 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 60 9.831 0.729 9.774 1.00 0.00 H new ATOM 875 N ARG A 61 6.630 1.181 9.155 1.00 0.00 N ATOM 876 CA ARG A 61 5.380 1.664 9.729 1.00 0.00 C ATOM 877 C ARG A 61 4.182 1.129 8.950 1.00 0.00 C ATOM 878 O ARG A 61 4.189 1.103 7.719 1.00 0.00 O ATOM 879 CB ARG A 61 5.356 3.194 9.736 1.00 0.00 C ATOM 880 CG ARG A 61 4.013 3.779 10.141 1.00 0.00 C ATOM 881 CD ARG A 61 3.929 3.994 11.644 1.00 0.00 C ATOM 882 NE ARG A 61 3.049 5.108 11.990 1.00 0.00 N ATOM 883 CZ ARG A 61 3.146 5.796 13.122 1.00 0.00 C ATOM 884 NH1 ARG A 61 4.078 5.488 14.012 1.00 0.00 N ATOM 885 NH2 ARG A 61 2.308 6.797 13.364 1.00 0.00 N ATOM 0 H ARG A 61 6.594 1.010 8.150 1.00 0.00 H new ATOM 0 HA ARG A 61 5.315 1.301 10.755 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.123 3.558 10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 61 5.617 3.558 8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.859 4.728 9.628 1.00 0.00 H new ATOM 0 HG3 ARG A 61 3.213 3.111 9.823 1.00 0.00 H new ATOM 0 HD2 ARG A 61 3.566 3.084 12.121 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.927 4.184 12.039 1.00 0.00 H new ATOM 0 HE ARG A 61 2.321 5.372 11.326 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.724 4.720 13.829 1.00 0.00 H new ATOM 0 HH12 ARG A 61 4.149 6.019 14.880 1.00 0.00 H new ATOM 0 HH21 ARG A 61 1.590 7.037 12.681 1.00 0.00 H new ATOM 0 HH22 ARG A 61 2.382 7.325 14.233 1.00 0.00 H new ATOM 899 N LYS A 62 3.154 0.703 9.676 1.00 0.00 N ATOM 900 CA LYS A 62 1.947 0.170 9.056 1.00 0.00 C ATOM 901 C LYS A 62 0.725 0.997 9.441 1.00 0.00 C ATOM 902 O LYS A 62 0.421 1.160 10.622 1.00 0.00 O ATOM 903 CB LYS A 62 1.739 -1.289 9.468 1.00 0.00 C ATOM 904 CG LYS A 62 1.900 -1.529 10.959 1.00 0.00 C ATOM 905 CD LYS A 62 1.334 -2.877 11.372 1.00 0.00 C ATOM 906 CE LYS A 62 2.386 -3.972 11.289 1.00 0.00 C ATOM 907 NZ LYS A 62 1.774 -5.314 11.080 1.00 0.00 N ATOM 0 H LYS A 62 3.133 0.717 10.696 1.00 0.00 H new ATOM 0 HA LYS A 62 2.072 0.222 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.741 -1.605 9.163 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.450 -1.915 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.956 -1.480 11.224 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.396 -0.737 11.512 1.00 0.00 H new ATOM 0 HD2 LYS A 62 0.951 -2.815 12.391 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.491 -3.131 10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.073 -3.755 10.471 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.975 -3.980 12.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.524 -6.033 11.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.138 -5.533 11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 1.233 -5.314 10.192 1.00 0.00 H new ATOM 921 N GLY A 63 0.026 1.517 8.436 1.00 0.00 N ATOM 922 CA GLY A 63 -1.155 2.319 8.692 1.00 0.00 C ATOM 923 C GLY A 63 -2.138 2.287 7.538 1.00 0.00 C ATOM 924 O GLY A 63 -1.826 1.780 6.460 1.00 0.00 O ATOM 0 H GLY A 63 0.257 1.397 7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -1.647 1.958 9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.856 3.350 8.883 1.00 0.00 H new ATOM 928 N LEU A 64 -3.330 2.828 7.764 1.00 0.00 N ATOM 929 CA LEU A 64 -4.364 2.858 6.735 1.00 0.00 C ATOM 930 C LEU A 64 -4.180 4.060 5.813 1.00 0.00 C ATOM 931 O LEU A 64 -4.191 5.206 6.261 1.00 0.00 O ATOM 932 CB LEU A 64 -5.751 2.902 7.379 1.00 0.00 C ATOM 933 CG LEU A 64 -6.032 1.838 8.440 1.00 0.00 C ATOM 934 CD1 LEU A 64 -7.338 2.135 9.161 1.00 0.00 C ATOM 935 CD2 LEU A 64 -6.072 0.454 7.810 1.00 0.00 C ATOM 0 H LEU A 64 -3.605 3.252 8.650 1.00 0.00 H new ATOM 0 HA LEU A 64 -4.276 1.950 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.888 3.884 7.832 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.499 2.807 6.591 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.224 1.859 9.171 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.522 1.367 9.913 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.273 3.109 9.646 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.157 2.142 8.442 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.273 -0.291 8.580 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.860 0.419 7.057 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.112 0.240 7.340 1.00 0.00 H new ATOM 947 N PHE A 65 -4.014 3.789 4.523 1.00 0.00 N ATOM 948 CA PHE A 65 -3.830 4.848 3.537 1.00 0.00 C ATOM 949 C PHE A 65 -4.902 4.776 2.454 1.00 0.00 C ATOM 950 O PHE A 65 -5.315 3.698 2.025 1.00 0.00 O ATOM 951 CB PHE A 65 -2.441 4.747 2.904 1.00 0.00 C ATOM 952 CG PHE A 65 -2.202 3.450 2.186 1.00 0.00 C ATOM 953 CD1 PHE A 65 -1.771 2.329 2.878 1.00 0.00 C ATOM 954 CD2 PHE A 65 -2.407 3.351 0.819 1.00 0.00 C ATOM 955 CE1 PHE A 65 -1.551 1.134 2.220 1.00 0.00 C ATOM 956 CE2 PHE A 65 -2.189 2.158 0.156 1.00 0.00 C ATOM 957 CZ PHE A 65 -1.759 1.048 0.858 1.00 0.00 C ATOM 0 H PHE A 65 -4.003 2.845 4.136 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.920 5.806 4.048 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.309 5.571 2.203 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -1.687 4.867 3.682 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.605 2.390 3.943 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -2.741 4.216 0.265 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.216 0.268 2.771 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -2.354 2.093 -0.909 1.00 0.00 H new ATOM 0 HZ PHE A 65 -1.586 0.115 0.342 1.00 0.00 H new ATOM 967 N PRO A 66 -5.364 5.950 2.001 1.00 0.00 N ATOM 968 CA PRO A 66 -6.394 6.048 0.962 1.00 0.00 C ATOM 969 C PRO A 66 -5.881 5.611 -0.406 1.00 0.00 C ATOM 970 O PRO A 66 -4.794 6.005 -0.827 1.00 0.00 O ATOM 971 CB PRO A 66 -6.746 7.537 0.950 1.00 0.00 C ATOM 972 CG PRO A 66 -5.527 8.219 1.469 1.00 0.00 C ATOM 973 CD PRO A 66 -4.917 7.274 2.467 1.00 0.00 C ATOM 0 HA PRO A 66 -7.244 5.397 1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -6.992 7.877 -0.056 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -7.613 7.744 1.578 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -4.829 8.438 0.661 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -5.781 9.170 1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.830 7.350 2.479 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.262 7.481 3.480 1.00 0.00 H new ATOM 981 N PHE A 67 -6.671 4.794 -1.095 1.00 0.00 N ATOM 982 CA PHE A 67 -6.296 4.303 -2.416 1.00 0.00 C ATOM 983 C PHE A 67 -6.309 5.434 -3.441 1.00 0.00 C ATOM 984 O PHE A 67 -5.570 5.404 -4.425 1.00 0.00 O ATOM 985 CB PHE A 67 -7.247 3.189 -2.858 1.00 0.00 C ATOM 986 CG PHE A 67 -8.698 3.533 -2.680 1.00 0.00 C ATOM 987 CD1 PHE A 67 -9.282 4.541 -3.432 1.00 0.00 C ATOM 988 CD2 PHE A 67 -9.479 2.850 -1.762 1.00 0.00 C ATOM 989 CE1 PHE A 67 -10.617 4.860 -3.269 1.00 0.00 C ATOM 990 CE2 PHE A 67 -10.814 3.165 -1.595 1.00 0.00 C ATOM 991 CZ PHE A 67 -11.384 4.171 -2.351 1.00 0.00 C ATOM 0 H PHE A 67 -7.574 4.458 -0.761 1.00 0.00 H new ATOM 0 HA PHE A 67 -5.284 3.904 -2.354 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -7.062 2.960 -3.908 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -7.024 2.285 -2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -8.687 5.083 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -9.039 2.062 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -11.060 5.648 -3.860 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.411 2.626 -0.875 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.428 4.418 -2.224 1.00 0.00 H new ATOM 1001 N THR A 68 -7.154 6.431 -3.202 1.00 0.00 N ATOM 1002 CA THR A 68 -7.266 7.571 -4.103 1.00 0.00 C ATOM 1003 C THR A 68 -6.023 8.451 -4.034 1.00 0.00 C ATOM 1004 O THR A 68 -5.877 9.400 -4.804 1.00 0.00 O ATOM 1005 CB THR A 68 -8.505 8.426 -3.777 1.00 0.00 C ATOM 1006 OG1 THR A 68 -8.604 9.517 -4.700 1.00 0.00 O ATOM 1007 CG2 THR A 68 -8.433 8.963 -2.356 1.00 0.00 C ATOM 0 H THR A 68 -7.772 6.472 -2.391 1.00 0.00 H new ATOM 0 HA THR A 68 -7.367 7.168 -5.111 1.00 0.00 H new ATOM 0 HB THR A 68 -9.389 7.794 -3.866 1.00 0.00 H new ATOM 0 HG1 THR A 68 -7.705 9.803 -4.966 1.00 0.00 H new ATOM 0 HG21 THR A 68 -9.319 9.564 -2.149 1.00 0.00 H new ATOM 0 HG22 THR A 68 -8.387 8.130 -1.654 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.542 9.581 -2.245 1.00 0.00 H new ATOM 1015 N HIS A 69 -5.127 8.128 -3.106 1.00 0.00 N ATOM 1016 CA HIS A 69 -3.894 8.889 -2.937 1.00 0.00 C ATOM 1017 C HIS A 69 -2.733 8.209 -3.655 1.00 0.00 C ATOM 1018 O HIS A 69 -1.792 8.868 -4.098 1.00 0.00 O ATOM 1019 CB HIS A 69 -3.567 9.048 -1.451 1.00 0.00 C ATOM 1020 CG HIS A 69 -2.262 9.737 -1.195 1.00 0.00 C ATOM 1021 ND1 HIS A 69 -2.174 11.044 -0.764 1.00 0.00 N ATOM 1022 CD2 HIS A 69 -0.989 9.293 -1.310 1.00 0.00 C ATOM 1023 CE1 HIS A 69 -0.902 11.374 -0.627 1.00 0.00 C ATOM 1024 NE2 HIS A 69 -0.162 10.329 -0.951 1.00 0.00 N ATOM 0 H HIS A 69 -5.232 7.345 -2.460 1.00 0.00 H new ATOM 0 HA HIS A 69 -4.042 9.875 -3.376 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -4.366 9.611 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -3.546 8.063 -0.985 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -0.681 8.307 -1.625 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -0.530 12.335 -0.305 1.00 0.00 H new ATOM 0 HE2 HIS A 69 0.857 10.297 -0.937 1.00 0.00 H new ATOM 1033 N VAL A 70 -2.805 6.886 -3.766 1.00 0.00 N ATOM 1034 CA VAL A 70 -1.760 6.117 -4.431 1.00 0.00 C ATOM 1035 C VAL A 70 -2.211 5.657 -5.813 1.00 0.00 C ATOM 1036 O VAL A 70 -3.393 5.396 -6.038 1.00 0.00 O ATOM 1037 CB VAL A 70 -1.355 4.885 -3.599 1.00 0.00 C ATOM 1038 CG1 VAL A 70 -0.754 5.313 -2.269 1.00 0.00 C ATOM 1039 CG2 VAL A 70 -2.552 3.971 -3.384 1.00 0.00 C ATOM 0 H VAL A 70 -3.576 6.325 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.898 6.777 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.597 4.329 -4.150 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.474 4.430 -1.695 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.130 5.924 -2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.487 5.893 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.248 3.106 -2.795 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.334 4.514 -2.854 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.933 3.637 -4.349 1.00 0.00 H new ATOM 1049 N LYS A 71 -1.261 5.560 -6.737 1.00 0.00 N ATOM 1050 CA LYS A 71 -1.558 5.131 -8.098 1.00 0.00 C ATOM 1051 C LYS A 71 -0.942 3.765 -8.385 1.00 0.00 C ATOM 1052 O LYS A 71 0.254 3.559 -8.178 1.00 0.00 O ATOM 1053 CB LYS A 71 -1.037 6.159 -9.105 1.00 0.00 C ATOM 1054 CG LYS A 71 -1.511 5.912 -10.527 1.00 0.00 C ATOM 1055 CD LYS A 71 -0.767 6.787 -11.522 1.00 0.00 C ATOM 1056 CE LYS A 71 -1.348 8.191 -11.574 1.00 0.00 C ATOM 1057 NZ LYS A 71 -0.878 8.942 -12.771 1.00 0.00 N ATOM 0 H LYS A 71 -0.278 5.773 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 71 -2.640 5.050 -8.198 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -1.354 7.154 -8.793 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.053 6.152 -9.088 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -1.365 4.863 -10.783 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -2.581 6.111 -10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 71 0.286 6.838 -11.246 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.816 6.335 -12.513 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.436 8.133 -11.586 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.067 8.734 -10.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.296 9.894 -12.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.159 9.019 -12.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.168 8.438 -13.633 1.00 0.00 H new ATOM 1071 N ILE A 72 -1.765 2.838 -8.862 1.00 0.00 N ATOM 1072 CA ILE A 72 -1.299 1.494 -9.179 1.00 0.00 C ATOM 1073 C ILE A 72 -0.412 1.498 -10.420 1.00 0.00 C ATOM 1074 O ILE A 72 -0.691 2.197 -11.394 1.00 0.00 O ATOM 1075 CB ILE A 72 -2.477 0.529 -9.408 1.00 0.00 C ATOM 1076 CG1 ILE A 72 -3.341 0.436 -8.148 1.00 0.00 C ATOM 1077 CG2 ILE A 72 -1.965 -0.847 -9.807 1.00 0.00 C ATOM 1078 CD1 ILE A 72 -2.713 -0.386 -7.044 1.00 0.00 C ATOM 0 H ILE A 72 -2.758 2.993 -9.037 1.00 0.00 H new ATOM 0 HA ILE A 72 -0.720 1.151 -8.322 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.092 0.917 -10.220 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.535 1.442 -7.775 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.306 0.001 -8.410 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -2.810 -1.518 -9.965 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -1.387 -0.767 -10.728 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.331 -1.243 -9.014 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.380 -0.409 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.544 -1.403 -7.399 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.762 0.060 -6.754 1.00 0.00 H new ATOM 1090 N PHE A 73 0.658 0.711 -10.378 1.00 0.00 N ATOM 1091 CA PHE A 73 1.587 0.622 -11.499 1.00 0.00 C ATOM 1092 C PHE A 73 2.295 -0.729 -11.513 1.00 0.00 C ATOM 1093 O PHE A 73 2.348 -1.425 -10.499 1.00 0.00 O ATOM 1094 CB PHE A 73 2.618 1.750 -11.424 1.00 0.00 C ATOM 1095 CG PHE A 73 3.655 1.545 -10.357 1.00 0.00 C ATOM 1096 CD1 PHE A 73 3.353 1.777 -9.025 1.00 0.00 C ATOM 1097 CD2 PHE A 73 4.932 1.119 -10.686 1.00 0.00 C ATOM 1098 CE1 PHE A 73 4.304 1.589 -8.040 1.00 0.00 C ATOM 1099 CE2 PHE A 73 5.888 0.929 -9.706 1.00 0.00 C ATOM 1100 CZ PHE A 73 5.574 1.165 -8.381 1.00 0.00 C ATOM 0 H PHE A 73 0.903 0.126 -9.580 1.00 0.00 H new ATOM 0 HA PHE A 73 1.015 0.722 -12.422 1.00 0.00 H new ATOM 0 HB2 PHE A 73 3.115 1.842 -12.390 1.00 0.00 H new ATOM 0 HB3 PHE A 73 2.101 2.692 -11.241 1.00 0.00 H new ATOM 0 HD1 PHE A 73 2.362 2.109 -8.753 1.00 0.00 H new ATOM 0 HD2 PHE A 73 5.183 0.933 -11.720 1.00 0.00 H new ATOM 0 HE1 PHE A 73 4.055 1.773 -7.005 1.00 0.00 H new ATOM 0 HE2 PHE A 73 6.880 0.596 -9.975 1.00 0.00 H new ATOM 0 HZ PHE A 73 6.320 1.018 -7.614 1.00 0.00 H new ATOM 1110 N ASP A 74 2.837 -1.094 -12.670 1.00 0.00 N ATOM 1111 CA ASP A 74 3.542 -2.362 -12.818 1.00 0.00 C ATOM 1112 C ASP A 74 4.949 -2.272 -12.234 1.00 0.00 C ATOM 1113 O ASP A 74 5.814 -1.560 -12.743 1.00 0.00 O ATOM 1114 CB ASP A 74 3.613 -2.761 -14.292 1.00 0.00 C ATOM 1115 CG ASP A 74 2.307 -3.342 -14.798 1.00 0.00 C ATOM 1116 OD1 ASP A 74 1.363 -2.560 -15.034 1.00 0.00 O ATOM 1117 OD2 ASP A 74 2.229 -4.578 -14.958 1.00 0.00 O ATOM 0 H ASP A 74 2.802 -0.530 -13.519 1.00 0.00 H new ATOM 0 HA ASP A 74 2.988 -3.124 -12.270 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.875 -1.888 -14.890 1.00 0.00 H new ATOM 0 HB3 ASP A 74 4.410 -3.492 -14.430 1.00 0.00 H new